2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide

C10H15N7O — CID 115669355

IUPAC2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C10H15N7O/c1-16(2)6(18)4-17(3)9-7-8(13-5-12-7)14-10(11)15-9/h5H,4H2,1-3H3,(H3,11,12,13,14,15)
InChIKeyNKCOTFULDXYKLS-UHFFFAOYSA-N
MW249.28 g/mol
LogP-0.54
Rot. Bonds3

About 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide

2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide (PubChem CID 115669355) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide
PubChem CID115669355
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C10H15N7O/c1-16(2)6(18)4-17(3)9-7-8(13-5-12-7)14-10(11)15-9/h5H,4H2,1-3H3,(H3,11,12,13,14,15)
InChIKeyNKCOTFULDXYKLS-UHFFFAOYSA-N
XLogP-0.54
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide
CID 115669354
ethyl 2-[(2-amino-7H-purin-6-yl)-methylamino]acetate
CID 114052448
6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine
CID 104623920
6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine
CID 44776717
[4-[[(2-amino-7H-purin-6-yl)-methylamino]methyl]oxan-4-yl]methanol
CID 72941332
6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 104623147
6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669357
6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine
CID 134697238
6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669342
2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide
CID 104925667
1-[(2-amino-7H-purin-6-yl)-ethylamino]-2-methylpropan-2-ol
CID 104623697
3-[methyl-[2-[methyl(7H-purin-6-yl)amino]acetyl]amino]propanoic acid
CID 119362648

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide (CID 115669355) is 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)c1nc(N)nc2nc[nH]c12.
What is the InChIKey of 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide?
The InChIKey is NKCOTFULDXYKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-16(2)6(18)4-17(3)9-7-8(13-5-12-7)14-10(11)15-9/h5H,4H2,1-3H3,(H3,11,12,13,14,15).
What are the key properties of 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide?
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide has a molecular weight of 249.28 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 115669355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).